(2S,3R,4R)-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-1-[oxo(3-pyridinyl)methyl]-2-azetidinecarbonitrile

Properties Image MNX_ID MNXM171413 reference chebi:99236 formula C25H18FN3O2 global charge 0 mol weight 411.436 InChIKey NFTCJLSEEOPUCW-TZRRMPRUSA-N InChI InChI=1S/C25H18FN3O2/c26-21-6-2-1-4-18(21)10-7-17-8-11-19(12-9-17)24-22(14-27)29(23(24)16-30)25(31)20-5-3-13-28-15-20/h1-6,8-9,11-13,15,22-24,30H,16H2/t22-,23+,24-/m1/s1 SMILES N#C[C@@H]1[C@@H](C2=CC=C(C#CC3=CC=CC=C3F)C=C2)[C@H](CO)N1C(=O)C1=CN=CC=C1 MNX internals InChI (mnx) InChI=1/C25H18FN3O2/c26-21-6-2-1-4-18(21)10-7-17-8-11-19(12-9-17)24-22(14-27)29(23(24)16-30)25(31)20-5-3-13-28-15-20/h1-6,8-9,11-13,15,22-24,30H,16H2/t22-,23+,24-/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][CH:6]=[C:21]([F:26])[C:18]([C:10]#[C:7][C:17]2=[CH:9][CH:12]=[C:19]([C@@H:24]3[C@@H:22]([C:14]#[N:27])[N:29]([C:25]([C:20]4=[CH:15][N:28]=[CH:13][CH:3]=[CH:5]4)=[O:31])[C@H:23]3[CH2:16][OH:30])[CH:11]=[CH:8]2)=[CH:4]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0